| maintainers: | andrewtarzia |
|---|---|
| documentation: | https://cgmodels.readthedocs.io |
In this repository, I host structural models that I have developed over the years.
- Model dataset 1: Systematic exploration of accessible topologies of cage molecules via minimalistic models
- Starship dataset: Adjacent backbone interactions control self-sorting of chiral heteroleptic Pd3A2B4 isosceles triangles and Pd4A4C4 pseudo-tetrahedra
- Structure prediction dataset: Unbiased structure prediction of sophisticated cage structures
Funded by the European Union - Next Generation EU, Mission 4 Component 1 CUP E13C22002930006.
This work is now developed as part of the Tarzia Research Group at the University of Birmingham.